N-(5,6-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-phenylacetamide

C18H18N2O3S — CID 40509023

IUPACN-(5,6-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-phenylacetamide
SMILESCOc1cc2s/c(=N\C(=O)Cc3ccccc3)n(C)c2cc1OC
InChIInChI=1S/C18H18N2O3S/c1-20-13-10-14(22-2)15(23-3)11-16(13)24-18(20)19-17(21)9-12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3/b19-18-
InChIKeyXRACBSCSDMVMBL-HNENSFHCSA-N
MW342.42 g/mol
LogP2.93
Rot. Bonds4

About N-(5,6-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-phenylacetamide

N-(5,6-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-phenylacetamide (PubChem CID 40509023) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-(5,6-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-phenylacetamide.

Molecular Properties

Compound NameN-(5,6-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-phenylacetamide
PubChem CID40509023
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC NameN-(5,6-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-phenylacetamide
SMILESCOc1cc2s/c(=N\C(=O)Cc3ccccc3)n(C)c2cc1OC
InChIInChI=1S/C18H18N2O3S/c1-20-13-10-14(22-2)15(23-3)11-16(13)24-18(20)19-17(21)9-12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3/b19-18-
InChIKeyXRACBSCSDMVMBL-HNENSFHCSA-N
XLogP2.93
TPSA52.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-(5,6-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-phenylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-benzylsulfanyl-N-(5,6-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)acetamide
CID 42523536
methyl 2-[5,6-dimethoxy-2-(2-phenylacetyl)imino-1,3-benzothiazol-3-yl]acetate
CID 40509024
N-(5,6-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide
CID 40509040
N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-2-phenylacetamide
CID 40694545
2-(4-methoxy-3-methylphenyl)-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide
CID 16848042
N-[5,6-dimethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-(4-methylsulfanylphenyl)acetamide
CID 42525126
N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)-2-(4-propan-2-ylphenyl)acetamide
CID 41362843
N-(5,6-dimethyl-3-propyl-1,3-benzothiazol-2-ylidene)-2-phenylacetamide
CID 41048124
N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-2-(3-methoxyphenyl)acetamide
CID 16912533
2-(3,4-dimethoxyphenyl)-N-(3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)acetamide
CID 16912752
N-(5,6-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-(4-fluorophenyl)acetamide
CID 40518958
4-chloro-N-(5,6-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 40508845

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-phenylacetamide?
The IUPAC name of N-(5,6-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-phenylacetamide (CID 40509023) is N-(5,6-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-phenylacetamide.
What is the SMILES notation for N-(5,6-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-phenylacetamide?
The canonical SMILES for N-(5,6-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-phenylacetamide is COc1cc2s/c(=N\C(=O)Cc3ccccc3)n(C)c2cc1OC.
What is the InChIKey of N-(5,6-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-phenylacetamide?
The InChIKey is XRACBSCSDMVMBL-HNENSFHCSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-20-13-10-14(22-2)15(23-3)11-16(13)24-18(20)19-17(21)9-12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3/b19-18-.
What are the key properties of N-(5,6-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-phenylacetamide?
N-(5,6-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-phenylacetamide has a molecular weight of 342.42 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-phenylacetamide is sourced from PubChem (CID 40509023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).